ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006796
RECORD_TITLE: CYCLOHEPTANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: CYCLOHEPTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄
CH$EXACT_MASS: 98.10955
CH$SMILES: C(C1)CCCCC1
CH$IUPAC: InChI=1S/C7H14/c1-2-4-6-7-5-3-1/h1-7H2
CH$LINK: INCHIKEY DMEGYFMYUHOHGS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0074269

AC$INSTRUMENT: HITACHI RMU-7M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4l-9000000000-17287016935b9da5ae0d
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  15 1.63 16
  27 21.31 213
  28 8.55 86
  29 25.27 253
  39 25.82 258
  40 4.9 49
  41 73.87 739
  42 70.14 701
  43 13.37 134
  53 6.07 61
  54 10.89 109
  55 90.12 901
  56 99.99 999
  57 18.04 180
  67 6.69 67
  68 20.22 202
  69 55.44 554
  70 80.09 801
  71 4.67 47
  82 3.34 33
  83 38.72 387
  84 2.33 23
  96 2.18 22
  97 11.66 117
  98 31.8 318
  99 2.1 21
//